3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C15H19N3O2S — CID 43258406

IUPAC3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C15H19N3O2S/c1-11-6-7-14(16)12(2)15(11)21(19,20)18-10-8-13-5-3-4-9-17-13/h3-7,9,18H,8,10,16H2,1-2H3
InChIKeyYGDIVQRVPFVCTK-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.80
Rot. Bonds5

About 3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 43258406) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID43258406
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCCc1ccccn1
InChIInChI=1S/C15H19N3O2S/c1-11-6-7-14(16)12(2)15(11)21(19,20)18-10-8-13-5-3-4-9-17-13/h3-7,9,18H,8,10,16H2,1-2H3
InChIKeyYGDIVQRVPFVCTK-UHFFFAOYSA-N
XLogP1.80
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257804
N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864548
2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355
3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253
3-amino-2,6-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758445
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
2-hydroxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 81241460
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 43258406) is 3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NCCc1ccccn1.
What is the InChIKey of 3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is YGDIVQRVPFVCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-6-7-14(16)12(2)15(11)21(19,20)18-10-8-13-5-3-4-9-17-13/h3-7,9,18H,8,10,16H2,1-2H3.
What are the key properties of 3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43258406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).